SCHEMBL856765

SCHEMBL856765

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc2ccc(Br)cn2n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AHR P35869 9/20 0.40
MAP3K5 Q99683 1/20 0.34
GAA P10253 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SOS1 Q07889 1/20 0.32
TTK P33981 1/20 0.32
RORC P51449 2/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIK3CG P48736 1/20 0.31
BACE1 P56817 1/20 0.31
MAPT P10636 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23113052 0.94 AHR (0.38) AHRMAP3K5GAANPC1RAB9A
SCHEMBL30385381 0.81
SCHEMBL20472412 0.81 AHR (0.41) AHRSOS1BACE1MAPT
SCHEMBL23693424 0.77 BACE1 (0.43) BACE1
SCHEMBL25440181 0.76 AHR (0.39) AHRSOS1BACE1
SCHEMBL31489814 0.76 PIK3CG (0.38) TTKPIK3CG
SCHEMBL3302386 0.74 SSTR4 (0.37)
SCHEMBL3300667 0.74 AHR (0.39) AHR
SCHEMBL12093489 0.74 AHR (0.39) AHRNPC1RAB9A
SCHEMBL31489352 0.74

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307515-A Antibacterial compounds 英菲克斯治疗有限公司 2024-07-09 CN disclosed
US-11845725-B2 Antibacterial compounds Infex Therapeutics Limited (GB) 2023-12-19 US disclosed
EP-3793990-B1 ANTIBACTERIAL COMPOUNDS INFEX THERAPEUTICS LTD (GB) 2023-07-19 EP disclosed
US-20230060011-A1 ANTIBACTERIAL COMPOUNDS Infex Therapeutics Limited (GB) 2023-02-23 US disclosed
US-11459296-B2 Antibacterial compounds Infex Therapeutics Limited (GB) 2022-10-04 US disclosed
US-20210230115-A1 Antibacterial Compounds Infex Therapeutics Limited (GB) 2021-07-29 US disclosed
EP-3793990-A1 ANTIBACTERIAL COMPOUNDS Infex Therapeutics Limited (GB) 2021-03-24 EP disclosed
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
EP-2640366-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
WO-2012068096-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 WO disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA AHR 2791/4885MAP3K5 153/4885GAA 752/4885
US-20230060011-A1 ANTIBACTERIAL COMPOUNDS GAA, MGAM, NQO1 AHR 3921/4885MAP3K5 2414/4885GAA 1/4885
US-20210230115-A1 Antibacterial Compounds GAA, MGAM, NQO1 AHR 3921/4885MAP3K5 2414/4885GAA 1/4885
US-11459296-B2 Antibacterial compounds GAA, MGAM, NQO1 AHR 3921/4885MAP3K5 2414/4885GAA 1/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA AHR 2849/4885MAP3K5 125/4885GAA 686/4885
US-11845725-B2 Antibacterial compounds GAA, MGAM, NQO1 AHR 3921/4885MAP3K5 2414/4885GAA 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.